ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C12H16F3NO — CID 144998983

IUPACethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC.CC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO.C2H6/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13;1-2/h2-5H,6H2,1H3,(H,14,15);1-2H3
InChIKeyUFLMJUYNIGQHFU-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.37
Rot. Bonds2

About ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 144998983) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID144998983
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Nameethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC.CC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO.C2H6/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13;1-2/h2-5H,6H2,1H3,(H,14,15);1-2H3
InChIKeyUFLMJUYNIGQHFU-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162170581
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
N-[[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]phenyl]methyl]acetamide
CID 17409636
N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717935

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 144998983) is ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC.CC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is UFLMJUYNIGQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.C2H6/c1-7(15)14-6-8-2-4-9(5-3-8)10(11,12)13;1-2/h2-5H,6H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 247.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 144998983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).